Compound Detail
CHEMBL25699
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Cc1ccc(S(=O)(=O)N(c2cccc(OCCN(C(=O)OC(C)(C)C)c3ccncc3)c2)S(=O)(=O)c2ccc(C)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL25699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRYMQHCMFLWZSU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
637.8
MW (Da)
6.10
ALogP
8
HBA
0
HBD
123.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 4.51 | 4.51 | 30700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 30700.0 | nM | 4.51 | Binding affinity towards human thrombin. | 12672230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12672230 | 10.1021/jm021028j | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine